[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxymethyl-[[[4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyphosphinic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyphosphinic acid Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[[4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxymethyl-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid Formula: C22H27N10O12P3 MolecularWeight: 716.430863

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OCP(=O)(O)OP(=O)(O)OP(=O)(COC2CC(C=C2)N3C=NC4=C3NC(=NC4=O)N)O)N5C=NC6=C5NC(=NC6=O)N

Isomeric SMILES

C1C(C=CC1OCP(=O)(O)OP(=O)(O)OP(=O)(COC2CC(C=C2)N3C=NC4=C3NC(=NC4=O)N)O)N5C=NC6=C5NC(=NC6=O)N

InChI

InChI=1S/C22H27N10O12P3/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)41-9-45(35,36)43-47(39,40)44-46(37,38)10-42-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H3,23,27,29,33)(H3,24,28,30,34)